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Journal of Computational Chemistry|November 15, 2017
Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanicsRuixing Wang, Mikhail Ozhgibesov, Hajime HiraoJournal of Computational Chemistry|August 7, 2016
Partial hessian fitting for determining force constant parameters in molecular mechanicsRuixing Wang, Mikhail Ozhgibesov, Hajime HiraoPageof 1